2-[2-hexyl-3-methylsulfanyl-4-(oxidanylamino)phenyl]butanedial

Systemtic Name: 2-[2-hexyl-3-methylsulfanyl-4-(oxidanylamino)phenyl]butanedial Openeye Name: 2-[2-hexyl-4-(hydroxyamino)-3-methylsulfanyl-phenyl]butanedial CAS Name: 2-[2-hexyl-4-(hydroxyamino)-3-(methylthio)phenyl]butanedial IUPAC Name: 2-[2-hexyl-4-(hydroxyamino)-3-methylsulfanylphenyl]butanedial Traditional Name: 2-[2-hexyl-4-(hydroxyamino)-3-(methylthio)phenyl]succinaldehyde Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CC(=C1SC)NO)C(CC=O)C=O

Isomeric SMILES

CCCCCCC1=C(C=CC(=C1SC)NO)C(CC=O)C=O

InChI

InChI=1S/C17H25NO3S/c1-3-4-5-6-7-15-14(13(12-20)10-11-19)8-9-16(18-21)17(15)22-2/h8-9,11-13,18,21H,3-7,10H2,1-2H3